SCHEMBL7862237

SCHEMBL7862237

C=C(c1ccc(C)cc1)c1ccc(S(=O)(=O)CCC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
PAX8 Q06710 2/20 0.57
ALDH1A1 P00352 3/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KDM4E B2RXH2 1/20 0.54
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
RECQL P46063 1/20 0.48
HSD11B1 P28845 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7704838 0.89 ALDH1A1 (0.67) KMT2APAX8ALDH1A1HTTNPSR1
SCHEMBL7868867 0.87 ALDH1A1 (0.65) KMT2APAX8ALDH1A1HTTNPSR1
SCHEMBL7866978 0.81 KMT2A (0.60) KMT2APAX8ALDH1A1HTTNPSR1
SCHEMBL28579307 0.81 KMT2A (0.59) KMT2APAX8ALDH1A1CYP3A4CYP2C9
SCHEMBL7862238 0.80 ALDH1A1 (0.56) KMT2APAX8ALDH1A1HTTNPSR1
SCHEMBL7072972 0.80 KMT2A (0.56) KMT2APAX8ALDH1A1HTTKDM4E
SCHEMBL6470799 0.79 KDM4E (0.66) KMT2APAX8ALDH1A1HTTNPSR1
SCHEMBL19066564 0.79 ALDH1A1 (0.69) KMT2APAX8ALDH1A1HTTNPSR1
SCHEMBL12106076 0.79 HTT (0.62) KMT2APAX8ALDH1A1HTTNPSR1
SCHEMBL7869978 0.79 HTT (0.62) KMT2APAX8ALDH1A1HTTNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US claimed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP claimed
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed